Version2.0 2020-01-16T16:56:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 24-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1cc2c(c(c1O)C[NH+]3C[C@]4(C[C@@H]3CC(C4)(C)C)C)O[C@@H]([C@@H](C2=O)c5[nH]c6ccccc6n5)C C39345059 RHF 6-31G(d) (6D,7F) CCc1cc2c(c(c1O)C[NH+]3C[C@]4(C[C@@H]3CC(C4)(C)C)C)O[C@@H]([C@@H](C2=O)c5[nH]c6ccccc6n5)C C01[X(C30H38N3O3)] 216 C1 616 CCc1cc2c(c(c1O)C[NH+]1C[C@]3(C[C@@H]1CC(C3)(C)C)C)O[C@@H]([C@@H](C2=O)c1nc2c([nH]1)cccc2)C CCc1cc2c(c(c1O)C[NH+]1C[C@]3(C[C@@H]1CC(C3)(C)C)C)O[C@@H]([C@@H](C2=O)c1nc2c([nH]1)cccc2)C CCc1cc2C(=O)[C@H]([C@@H](C)Oc2c(C[NH+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c1O)c5[nH]c6ccccc6n5 InChIKey=JQGBSUILPXNSAV-DWDXREESSA-O InChI=1S/C30H37N3O3/c1-6-18-11-20-26(35)24(28-31-22-9-7-8-10-23(22)32-28)17(2)36-27(20)21(25(18)34)14-33-16-30(5)13-19(33)12-29(3,4)15-30/h7-11,17,19,24,34H,6,12-16H2,1-5H3,(H,31,32)/p+1/t17-,19+,24+,30+/m1/s1 InChI=1/C30H37N3O3/c1-6-18-11-20-26(35)24(28-31-22-9-7-8-10-23(22)32-28)17(2)36-27(20)21(25(18)34)14-33-16-30(5)13-19(33)12-29(3,4)15-30/h7-11,17,19,24,34H,6,12-16H2,1-5H3,(H,31,32)/p+1/t17-,19+,24+,30+/m1/s1/fC30H38N3O3/h31,33H/q+1 CCc1cc2c(c(c1O)C[NH+]3C[C@]4(C[C@@H]3CC(C4)(C)C)C)O[C@@H]([C@@H](C2=O)c5[nH]c6ccccc6n5)C C01[X(C30H38N3O3)] 216 C01 616 CCc1cc2c(c(c1O)C[NH+]1C[C@]3(C[C@@H]1CC(C3)(C)C)C)O[C@@H]([C@@H](C2=O)c1nc2c([nH]1)cccc2)C CCc1cc2c(c(c1O)C[NH]1C[C@]3(C[C@@H]1CC(C3)(C)C)C)O[C@@H]([C@@H](C2=O)c1nc2c([nH]1)cccc2)C CCc1cc2C(=O)[C@H]([C@@H](C)Oc2c(C[NH]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c1O)c5[nH]c6ccccc6n5 InChIKey=PKAHUJFXKRATEC-DWDXREESSA-N InChI=1S/C30H38N3O3/c1-6-18-11-20-26(35)24(28-31-22-9-7-8-10-23(22)32-28)17(2)36-27(20)21(25(18)34)14-33-16-30(5)13-19(33)12-29(3,4)15-30/h7-11,17,19,24,33-34H,6,12-16H2,1-5H3,(H,31,32)/t17-,19+,24+,30+/m1/s1 InChI=1/C30H38N3O3/c1-6-18-11-20-26(35)24(28-31-22-9-7-8-10-23(22)32-28)17(2)36-27(20)21(25(18)34)14-33-16-30(5)13-19(33)12-29(3,4)15-30/h7-11,17,19,24,33-34H,6,12-16H2,1-5H3,(H,31,32)/t17-,19+,24+,30+/m1/s1/f/h31H 4061.6004031893 -1545.9636986 1-A 20018.7031 131 485 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.72294 -20.72262 -20.65310 -15.80986 -15.68995 -15.62651 -11.43813 -11.43679 -11.43560 -11.41769 -11.41391 -11.41348 -11.40829 -11.39778 -11.37179 -11.35922 -11.35749 -11.35602 -11.35500 -11.35499 -11.35071 -11.34450 -11.33925 -11.33721 -11.33483 -11.33444 -11.32917 -11.31808 -11.31771 -11.31620 -11.31085 -11.30966 -11.30016 -11.29605 -11.29462 -11.28861 -1.55507 -1.54555 -1.50107 -1.46338 -1.43146 -1.28419 -1.26516 -1.25853 -1.22303 -1.20761 -1.19997 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0.80145 0.81176 0.81896 0.82358 0.82669 0.82989 0.83774 0.84054 0.85326 0.85668 0.86257 0.86740 0.87378 0.87793 0.88553 0.89437 0.90006 0.90852 0.91771 0.92546 0.92607 0.93424 0.94094 0.94516 0.94909 0.94954 0.96064 0.96324 0.97026 0.97573 0.98162 0.98459 0.99035 0.99557 1.00205 1.00660 1.01169 1.01257 1.01884 1.02240 1.03232 1.03411 1.03559 1.04586 1.04789 1.05134 1.05366 1.05638 1.05915 1.06287 1.06713 1.06995 1.07060 1.07412 1.07754 1.08196 1.08652 1.08833 1.09328 1.10053 1.10154 1.10257 1.10661 1.11519 1.11661 1.11842 1.12031 1.12861 1.13263 1.13576 1.14161 1.14575 1.14959 1.15209 1.15285 1.15751 1.15909 1.16890 1.17475 1.17859 1.17910 1.18743 1.19111 1.19799 1.20501 1.21211 1.21801 1.22212 1.22868 1.24075 1.24962 1.26257 1.26429 1.28263 1.29672 1.31184 1.31702 1.32628 1.33663 1.34008 1.34722 1.35508 1.36452 1.37197 1.38241 1.39123 1.40119 1.41058 1.42726 1.44608 1.45615 1.46648 1.46834 1.47383 1.49201 1.49529 1.51502 1.51877 1.52206 1.52565 1.53173 1.54083 1.54849 1.55878 1.57019 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2169.63 2205.42 2208.89 2214.30 2218.93 2228.34 2247.15 2258.69 2263.91 2269.62 2284.22 2293.70 2297.60 2325.65 2335.51 2338.07 2344.51 2348.47 2351.37 2353.43 2355.03 2358.29 2361.71 2362.36 2367.36 2371.69 2372.45 2375.69 2379.10 2392.35 2394.07 2396.60 2397.18 2411.14 2518.76 2573.07 2576.27 2613.17 2634.04 2863.07 4583.68 4598.22 4608.90 4612.75 4613.63 4622.53 4627.55 4632.77 4633.48 4648.70 4673.89 4677.87 4686.63 4694.31 4705.59 4706.64 4711.27 4714.85 4718.43 4722.23 4723.67 4728.31 4733.83 4736.54 4736.64 4743.64 4747.84 4825.98 4845.01 4848.99 4860.20 4876.47 4886.33 4888.04 4912.61 5335.38 5596.13 5931.52 0.689619 0.720151 0.721096 0.627202 -1545.274080 -1545.243547 -1545.242603 -1545.336497 3.149220D-04 MUNgauss RevisionA2.0 retrievium 16-Jan-2020 DUDE CCc1cc2c(c(c1O)C[NH+]3C[C@]4(C[C@@H]3CC(C4)(C)C)C)O[C@@H]([C@@H](C2=O)c5[nH]c6ccccc6n5)C C39345059 RHF 6-31G(d) (6D,10F) C1 488.291317 |X|Y|Z| 116.050021 64.218592 49.264623 71.605611 28 6 7 8 24 3 1 |36.858105| |12.406501|36.858105| |7.449078|12.552947|36.858105| |5.503881|7.554469|13.856200|36.858105| |4.064901|4.979606|7.824794|13.632679|36.858105| |3.711449|4.406970|6.791042|7.963611|13.742717|36.858105| |4.163175|4.959018|7.782630|6.875411|7.871203|13.651231|36.858105| |5.732642|7.457030|13.547174|8.035706|6.873523|7.959783|13.710325|36.858105| |5.564658|6.535410|7.931204|5.264574|4.630676|5.299835|8.215355|14.177282|73.516695| |3.370225|3.749711|4.972623|4.459721|5.030478|7.599316|12.660415|7.532038|12.198265|36.858105| |2.784624|3.157606|3.996133|3.749822|4.300253|6.116676|7.661698|5.366602|8.979070|12.700827|53.358707| |2.685501|3.069076|3.950687|3.922171|4.782269|7.079178|7.462779|5.023618|7.836012|9.568587|25.746207|0.500000| |2.749297|3.218382|3.922585|3.577189|3.866162|4.963863|6.128000|5.090166|9.010089|7.411916|17.144984|0.258431|36.858105| |2.268605|2.569918|2.977372|2.777428|2.985650|3.638656|4.165325|3.626157|6.621491|5.085524|10.666092|0.180906|12.307758|36.858105| |2.103745|2.334303|2.736850|2.635241|2.936602|3.650308|3.981746|3.296985|5.814660|5.086653|11.176473|0.207246|7.952751|12.396502|36.858105| |2.337835|2.556608|3.063600|2.911734|3.278141|4.283160|4.915266|3.857975|6.820946|7.394018|17.112117|0.262138|7.869582|8.079504|12.523179|36.858105| |2.239652|2.415401|2.903975|2.834314|3.268870|4.277539|4.621778|3.569344|6.124114|6.660149|12.363423|0.239181|5.741942|5.689286|8.646378|17.610987|0.500000| |2.294775|2.444547|2.825630|2.605066|2.809264|3.507068|4.183727|3.556157|6.757997|6.156453|10.104146|0.157273|6.015179|6.537147|7.571348|12.452552|0.245852|36.858105| |2.279311|2.444734|2.737208|2.464186|2.565989|3.086957|3.729816|3.405391|6.826655|4.966899|7.927225|0.126133|6.050367|7.204543|6.345374|7.197417|0.148926|12.188523|36.858105| |2.193364|2.421368|2.709059|2.466756|2.572283|3.056834|3.590861|3.294368|6.406421|4.449365|7.855898|0.129979|7.430344|12.356064|7.664014|6.552002|0.133893|7.338050|12.214989|36.858105| |1.970924|2.070799|2.258912|2.061915|2.133919|2.489814|2.889593|2.698759|5.350843|3.623088|5.497347|0.094653|4.115106|4.962866|4.763371|5.008778|0.116821|7.603292|12.374044|7.579190|36.858105| |2.623003|2.782955|3.052380|2.638551|2.654975|3.146300|3.982210|3.880184|8.495991|5.127170|7.041251|0.112868|5.474585|5.369297|4.518925|5.294936|0.118387|7.446472|12.356757|7.475311|7.716589|36.858105| |2.070740|2.368053|2.679062|2.545531|2.705889|3.139243|3.413475|3.094475|5.555195|3.784512|7.018680|0.134799|7.506233|12.461134|7.427515|5.065686|0.114059|4.324561|4.810840|7.568549|3.859626|3.972957|36.858105| |2.957056|3.364906|4.597073|5.228801|7.950766|14.202202|8.200238|5.304915|7.298102|6.959382|8.899909|0.243752|4.872207|3.773767|4.084092|4.818277|0.142589|3.691443|3.105289|3.085108|2.527210|3.006604|3.237256|73.516695| |2.594733|2.934300|3.803511|4.573337|6.854131|8.011285|5.249435|4.004587|5.723356|4.580085|6.284100|0.164258|3.833527|3.184556|3.467205|3.784417|0.113104|2.988685|2.583005|2.622617|2.176715|2.477663|2.895752|23.644608|36.858105| |2.538437|2.945232|3.778284|4.552957|6.537541|7.086556|4.910782|3.899001|5.603685|4.218845|6.100061|0.159434|3.987063|3.305445|3.502272|3.629281|0.104475|2.862671|2.544131|2.663575|2.140461|2.433806|3.112069|16.724237|17.514683|0.500000| |2.712537|3.016198|3.853618|4.979102|7.542948|6.771375|4.544298|3.767824|5.343085|3.784954|4.851865|0.116442|3.084588|2.596058|2.742351|2.997538|0.088465|2.512225|2.220905|2.225684|1.908356|2.189349|2.397333|13.843838|12.463013|0.251225|36.858105| |2.419903|2.681441|3.287600|4.156651|5.652423|5.024029|3.673772|3.167760|4.630076|3.161358|4.188469|0.099476|2.747754|2.375309|2.507598|2.662479|0.078281|2.251257|2.015460|2.042527|1.755684|1.974180|2.246190|10.097829|8.951989|0.222917|17.558107|0.500000| |3.288978|3.797058|5.044366|7.617467|12.922519|7.684206|5.061983|4.492768|6.067460|3.831362|4.741818|0.109731|3.145292|2.572257|2.600457|2.831663|0.080537|2.429409|2.209068|2.225243|1.885085|2.238163|2.392276|11.817879|7.653675|0.199450|12.469359|0.250503|36.858105| |3.196251|3.645614|4.489526|6.636832|8.082095|5.318103|3.994502|3.805140|5.342985|3.137561|3.929662|0.088642|2.691539|2.253851|2.254431|2.412856|0.068175|2.118152|1.960482|1.981868|1.698570|1.999215|2.136989|8.347982|5.358845|0.148010|8.001315|0.209466|15.955710|73.516695| |2.661205|2.817433|3.499664|4.301944|5.816708|5.528040|4.098316|3.464677|5.049909|3.571140|4.387452|0.101362|2.730804|2.343038|2.503845|2.813162|0.084763|2.428989|2.121303|2.068743|1.848277|2.106547|2.131163|10.955113|7.383663|0.152845|12.623075|0.249525|7.751173|10.868767|36.858105| |2.570186|2.656074|3.159288|3.867756|4.733690|4.217791|3.353689|3.012989|4.489249|2.934201|3.608259|0.080998|2.319899|2.020971|2.127504|2.355160|0.069958|2.093058|1.864151|1.817373|1.649408|1.871530|1.864514|7.728792|4.973740|0.115534|7.676299|0.195159|6.346869|10.695509|14.006598|53.358707| |2.557732|2.661721|3.112128|3.884500|4.599395|3.892184|3.120101|2.880382|4.295907|2.692199|3.348386|0.074852|2.204260|1.922923|1.998234|2.177250|0.063787|1.943440|1.757172|1.729910|1.558785|1.771278|1.797811|6.913065|4.502533|0.110412|6.968647|0.195331|6.500175|12.480648|9.064906|26.047604|0.500000| |2.433101|2.434168|2.829295|3.285906|3.827585|3.613323|3.045719|2.759812|4.230363|2.769653|3.366833|0.074122|2.147145|1.896798|2.011077|2.253331|0.067555|2.043521|1.809121|1.735394|1.618957|1.820550|1.735445|6.645096|4.000056|0.093568|5.245684|0.133375|4.534404|7.631436|8.671773|18.810755|0.247773|36.858105| |2.241660|2.194548|2.462477|2.788393|3.085393|2.905396|2.551753|2.382837|3.743567|2.353645|2.880245|0.062371|1.870438|1.675080|1.763410|1.957686|0.058204|1.811629|1.624146|1.554659|1.473456|1.643287|1.544024|5.240580|3.099676|0.075419|3.841752|0.101892|3.532726|6.233015|5.333644|10.220364|0.180042|13.704667|36.858105| |2.095623|2.022191|2.244277|2.462171|2.687836|2.617530|2.371355|2.216578|3.557071|2.250676|2.750152|0.058856|1.778302|1.610374|1.704916|1.905085|0.056946|1.789638|1.598112|1.512503|1.464364|1.616265|1.476015|4.754640|2.735586|0.066781|3.196867|0.084092|2.940377|5.089848|4.254629|7.006373|0.124359|8.089894|13.829857|36.858105| |2.096704|2.025294|2.273194|2.451513|2.709563|2.740494|2.514576|2.307338|3.730329|2.451560|2.976318|0.063473|1.889137|1.716776|1.840837|2.089798|0.063365|1.970172|1.731072|1.617854|1.587713|1.741357|1.554082|5.074450|2.850483|0.068526|3.200876|0.082320|2.879188|4.817891|4.283319|6.351930|0.108800|6.962926|7.847075|13.571674|36.858105| |2.245596|2.203883|2.543796|2.759609|3.156290|3.290189|2.967399|2.633842|4.196720|2.916510|3.506511|0.075608|2.168084|1.951969|2.120503|2.450288|0.075598|2.270069|1.954129|1.819439|1.769151|1.950575|1.745414|6.270451|3.480297|0.080908|3.860362|0.095972|3.333354|5.364730|5.460766|7.363790|0.118865|7.892367|6.709652|7.863296|13.839100|36.858105| |2.437658|2.443239|2.893031|3.268622|3.902517|3.968132|3.373332|2.945244|4.535150|3.174676|3.812483|0.084130|2.353165|2.078985|2.246275|2.578927|0.079091|2.325411|2.009366|1.900740|1.790363|2.005475|1.867727|7.629671|4.399354|0.098800|5.285424|0.127101|4.335693|6.820886|8.977355|11.824790|0.167217|13.692794|7.812469|6.914214|8.031502|13.676466|36.858105| 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|17.569591|8.785036|5.460658|4.355328|3.360276|3.088255|3.409943|4.452645|8.048102|2.873296|3.334152|0.065580|2.460286|2.075854|1.917164|2.098794|0.055761|2.080205|2.096390|2.029752|1.841144|2.411391|1.921881|4.521602|2.277002|0.062441|2.375014|0.059935|2.830819|4.988456|2.329231|3.100546|0.063490|2.170134|2.032873|1.912367|1.902410|2.009876|2.157910|3.065550|1.956010|0.301750|0.301359|0.500000| |8.796662|17.494551|8.841484|5.745465|4.216781|3.954390|4.619435|6.860754|12.407510|3.667302|4.317041|0.084003|3.370573|2.697253|2.385773|2.579075|0.066500|2.498859|2.571177|2.575583|2.170940|2.981682|2.502155|5.537144|2.710858|0.076571|2.704810|0.067573|3.286675|5.575015|2.509562|3.197534|0.065152|2.169372|1.966740|1.832015|1.848226|2.009100|2.199309|3.272142|2.266586|0.206427|0.172697|0.213515|0.500000| |8.870067|17.586195|8.974480|7.298393|4.766311|3.991319|4.182438|5.608415|8.631184|3.225377|3.837417|0.077659|2.895089|2.358127|2.155591|2.315994|0.061248|2.192834|2.190782|2.202753|1.880042|2.438525|2.223713|5.557526|2.833735|0.080216|2.978250|0.074977|3.833912|6.853265|2.746090|3.590475|0.074987|2.384989|2.164888|1.972818|1.946626|2.097956|2.343037|3.459850|2.323026|0.172513|0.212352|0.213274|0.307146|0.500000| |5.323919|6.998539|8.964776|17.729129|8.996087|5.684143|4.954857|5.676489|7.502695|3.564445|4.231593|0.090377|3.018076|2.430706|2.313932|2.508427|0.068249|2.271620|2.169518|2.182747|1.851104|2.313455|2.277893|7.517002|3.983469|0.111797|4.572601|0.111473|7.129747|13.222109|4.005279|5.196942|0.111138|3.212828|2.785192|2.426700|2.360404|2.597064|3.071257|4.692843|3.033452|0.123923|0.161212|0.122004|0.146510|0.221267|0.500000| |6.782879|7.831745|7.742573|4.993933|4.155945|4.429576|6.068777|9.958230|35.740753|5.122088|5.518990|0.101075|4.182973|3.239399|2.844795|3.237259|0.081764|3.254573|3.362824|3.193463|2.735020|4.198152|2.815976|6.219521|2.860898|0.078446|2.742294|0.066998|3.157033|5.089682|2.608530|3.230525|0.063825|2.244177|2.015294|1.915535|1.987847|2.200041|2.365144|3.551380|2.435683|0.227202|0.145043|0.153812|0.254579|0.152327|0.116265|0.500000| |3.096861|3.312141|4.277823|4.043856|4.717170|6.959899|8.917054|5.834160|9.390841|17.616453|12.513387|0.229045|5.534461|4.316096|4.702733|7.098111|0.207177|5.954776|4.443681|3.865004|3.427085|4.419376|3.308597|12.852587|4.753074|0.115110|3.944135|0.090573|3.793680|5.499269|3.912137|4.295426|0.078556|3.045783|2.559010|2.475084|2.761991|3.380596|3.636141|6.079234|4.311446|0.093884|0.084349|0.073771|0.088116|0.080601|0.092018|0.117262|0.500000| |3.484228|3.778684|4.724514|3.996925|4.188172|5.608920|8.895989|7.234449|14.500445|17.755474|12.327071|0.183826|6.805283|4.948008|4.676674|6.603768|0.157673|6.668488|5.745759|4.766416|4.065741|6.667355|3.655631|8.925830|3.649350|0.095376|3.161450|0.075185|3.262719|4.922653|3.046058|3.531286|0.066793|2.492547|2.168542|2.099826|2.284338|2.659981|2.820353|4.453191|3.250815|0.109278|0.090004|0.083121|0.105618|0.088472|0.090848|0.163629|0.301350|0.500000| |3.055517|3.606791|4.313300|3.705234|3.795871|4.717781|6.309365|5.831363|11.386161|7.315327|12.211235|0.186447|17.692599|8.584900|5.797350|6.187803|0.131879|5.606077|6.227589|7.164227|4.181724|6.550610|6.056130|7.659783|3.406228|0.097300|2.870790|0.070944|3.020953|4.662314|2.585505|3.040852|0.059258|2.081492|1.829777|1.744150|1.846145|2.098942|2.263548|3.574689|3.017609|0.089867|0.077094|0.075856|0.108249|0.087915|0.086479|0.143583|0.146117|0.214059|0.500000| |2.763411|3.332980|4.123314|3.888426|4.261634|5.341459|6.052031|5.074434|8.360734|6.192226|12.309408|0.244886|17.640722|8.665009|6.429772|5.948980|0.134488|4.560890|4.522598|5.517286|3.361019|4.233594|7.334296|9.234118|4.223553|0.128642|3.347327|0.083395|3.464279|5.250387|2.851177|3.287788|0.064402|2.191518|1.899390|1.783133|1.872638|2.143847|2.367162|3.841157|3.663458|0.078221|0.071817|0.068724|0.096363|0.085058|0.091169|0.110701|0.134386|0.150370|0.302888|0.500000| |1.900954|2.077217|2.381774|2.296088|2.525331|3.045627|3.285844|2.810749|5.035786|4.096310|7.828458|0.147887|5.647924|8.670414|17.601213|8.750644|0.197712|7.023564|6.131209|7.199628|5.161367|4.194154|6.386499|6.009175|2.969184|0.082809|2.415032|0.062177|2.281043|3.570221|2.244525|2.634750|0.050589|1.850830|1.641531|1.600961|1.732241|1.977184|2.063049|3.228210|3.108596|0.055316|0.050644|0.048596|0.059066|0.053585|0.056856|0.069772|0.109080|0.108705|0.127164|0.132914|0.500000| |2.047422|2.289537|2.707961|2.682114|3.060347|3.785673|3.896975|3.183117|5.413105|4.674769|9.922058|0.219542|6.913722|8.707491|17.517156|8.796970|0.212950|5.501036|4.681635|5.527364|3.749133|3.664669|6.951902|7.868953|3.900918|0.111775|2.980934|0.076422|2.767522|4.241572|2.659899|3.045595|0.058455|2.088575|1.817613|1.742581|1.872241|2.164710|2.324836|3.761352|4.088428|0.058736|0.054907|0.051793|0.064331|0.059488|0.065724|0.074137|0.122576|0.114216|0.139448|0.179869|0.302011|0.500000| |2.042197|2.152090|2.452476|2.302712|2.491418|3.037617|3.458296|2.981080|5.572805|4.727323|7.570009|0.130121|4.682795|5.402168|6.827753|9.199865|0.226381|17.556863|8.769016|6.063918|7.730695|5.647848|3.889476|5.810182|2.745106|0.072865|2.324458|0.058593|2.212928|3.461648|2.271537|2.684250|0.050823|1.943010|1.735322|1.728650|1.912724|2.193314|2.215544|3.392961|2.829686|0.061239|0.054414|0.051901|0.060795|0.054311|0.056626|0.076491|0.134365|0.136729|0.119924|0.105246|0.204563|0.143300|0.500000| |2.456910|2.565042|2.969667|2.708180|2.901065|3.632382|4.443454|3.793681|7.321102|6.796619|9.144727|0.145231|5.182772|5.024187|5.511618|8.806117|0.212546|17.566172|8.704951|5.502915|6.288018|7.419040|3.583573|6.656779|2.981186|0.077737|2.559177|0.063032|2.487778|3.850530|2.531385|2.975660|0.056003|2.161152|1.917366|1.908221|2.120909|2.454384|2.485207|3.817805|2.937291|0.075486|0.065026|0.061398|0.072148|0.063173|0.065296|0.097169|0.193947|0.220787|0.142378|0.113435|0.141098|0.123097|0.307107|0.500000| |2.264787|2.517610|2.755544|2.466031|2.508887|2.914373|3.452414|3.316573|6.636803|4.060612|6.678019|0.113120|6.693002|8.819902|5.545530|4.993657|0.108241|5.508100|8.771930|17.540370|6.313923|7.507478|6.982478|5.071994|2.446399|0.069646|2.115693|0.054120|2.157591|3.451755|1.961336|2.370043|0.046389|1.658477|1.494188|1.449769|1.538461|1.715313|1.795984|2.743594|2.325156|0.066703|0.057760|0.058716|0.075969|0.063537|0.060938|0.093728|0.096462|0.123606|0.203847|0.146193|0.143734|0.123170|0.128890|0.127254|0.500000| |1.949944|2.131714|2.355183|2.181503|2.281777|2.662812|3.020155|2.781866|5.315666|3.637714|6.258252|0.110000|5.494894|8.997570|6.977427|5.490251|0.119985|6.085956|8.777618|17.556230|7.675835|5.649723|7.164548|4.859696|2.390557|0.067585|2.040483|0.052647|2.018641|3.225036|1.904843|2.293585|0.044642|1.615393|1.456217|1.421957|1.520214|1.699630|1.764488|2.695111|2.365591|0.057161|0.050774|0.050578|0.062622|0.054567|0.054371|0.075129|0.091433|0.105834|0.143095|0.124520|0.214238|0.145064|0.158697|0.128944|0.305542|0.500000| |1.963011|2.025716|2.198478|2.005183|2.069480|2.404675|2.789788|2.619296|5.216008|3.500621|5.032570|0.087585|3.594030|4.046162|4.037272|4.514173|0.110650|6.955264|8.742870|5.481873|17.548732|7.055413|3.217283|4.327450|2.095669|0.056566|1.859851|0.047423|1.834052|2.944304|1.829319|2.232959|0.042913|1.627449|1.488590|1.491771|1.627698|1.808933|1.808228|2.677347|2.089949|0.059618|0.051427|0.050959|0.058564|0.050931|0.050124|0.074475|0.094543|0.110637|0.102536|0.083054|0.119261|0.091468|0.204901|0.182326|0.134080|0.149015|0.500000| |1.916369|2.014476|2.157939|1.959122|1.999126|2.291443|2.649303|2.540758|5.093902|3.194235|4.777879|0.083636|3.753040|4.490297|4.053586|4.071356|0.096243|5.493226|8.756742|6.956113|17.558614|7.048676|3.723334|4.076543|1.999067|0.055130|1.772000|0.045560|1.769338|2.860547|1.709359|2.095202|0.040689|1.507135|1.379933|1.368549|1.471836|1.625122|1.648511|2.451452|1.970822|0.057474|0.049673|0.050236|0.059332|0.050989|0.049227|0.073705|0.082795|0.099626|0.108812|0.087151|0.120319|0.091701|0.149787|0.133456|0.183705|0.203956|0.301874|0.500000| |1.812561|1.909996|2.092317|1.943769|2.035589|2.369145|2.677954|2.464045|4.748796|3.319395|5.198155|0.092142|3.846214|4.873866|5.034476|4.962417|0.118796|6.920987|8.724838|6.879260|17.550065|5.539486|3.904705|4.366242|2.148599|0.058807|1.870956|0.048149|1.824376|2.924722|1.808974|2.194532|0.042305|1.582250|1.440054|1.432253|1.554538|1.733016|1.751756|2.624690|2.178375|0.053991|0.047704|0.047096|0.055202|0.048669|0.048727|0.067598|0.088943|0.099232|0.103850|0.089194|0.165355|0.110056|0.226362|0.152274|0.152177|0.223917|0.301420|0.301692|0.500000| |3.036418|3.293954|3.676684|3.078040|3.058792|3.670086|4.916834|4.916761|11.502730|6.297360|8.156635|0.127271|6.556280|5.565010|4.509405|5.375502|0.119689|6.566654|8.594161|6.719038|5.515253|17.595698|4.107267|6.014380|2.724378|0.074576|2.405294|0.059637|2.504535|3.946907|2.290273|2.753936|0.053276|1.948930|1.745904|1.701576|1.823602|2.052135|2.139505|3.262729|2.504339|0.094469|0.075872|0.076325|0.099133|0.078533|0.073617|0.150184|0.139320|0.246161|0.248112|0.138240|0.110508|0.104298|0.135741|0.187589|0.195411|0.137765|0.141885|0.142852|0.122034|0.500000| |2.489081|2.637176|2.801281|2.421582|2.397696|2.759901|3.397179|3.429683|7.516203|4.070402|5.662059|0.094993|4.657648|4.752290|3.887674|4.212785|0.097038|5.446513|8.792516|6.836184|7.158133|17.564947|3.799259|4.664556|2.217364|0.061203|1.984147|0.050246|2.044053|3.290937|1.903215|2.329805|0.045368|1.663301|1.514702|1.489074|1.591188|1.761522|1.809738|2.705434|2.095977|0.076321|0.062672|0.064756|0.079886|0.064792|0.059872|0.108195|0.098872|0.138809|0.155193|0.105013|0.102953|0.089785|0.125987|0.146569|0.220368|0.152822|0.177382|0.217082|0.143923|0.303974|0.500000| |2.616531|2.689134|2.925374|2.536516|2.548488|3.000091|3.764689|3.683130|8.054679|4.851459|6.189242|0.102135|4.424509|4.272180|3.900911|4.755179|0.112747|6.893054|8.754732|5.445629|7.017041|17.551786|3.287710|5.105761|2.372440|0.063747|2.127426|0.053177|2.164854|3.448152|2.089054|2.541238|0.048844|1.840855|1.671086|1.659837|1.801999|2.013711|2.040652|3.041179|2.258032|0.082302|0.066855|0.066822|0.078821|0.065255|0.062078|0.112152|0.122658|0.178299|0.140727|0.099263|0.102665|0.090216|0.153574|0.222129|0.147126|0.125192|0.212318|0.172798|0.142274|0.302601|0.302575|0.500000| |2.053126|2.369501|2.714221|2.646369|2.865947|3.303937|3.447784|3.075357|5.322157|3.688412|6.841539|0.141548|6.861164|8.764245|6.785514|4.732095|0.111534|3.828917|3.971592|5.484096|3.252077|3.391790|17.547614|6.175271|3.190469|0.098022|2.593948|0.068085|2.568696|4.066113|2.256771|2.671406|0.052739|1.805536|1.596844|1.514780|1.587590|1.787729|1.934455|3.054299|3.068916|0.057817|0.054057|0.052776|0.068690|0.062563|0.065982|0.075043|0.090598|0.095446|0.148649|0.216402|0.157684|0.207793|0.096903|0.090557|0.141386|0.144843|0.077827|0.086304|0.092005|0.099227|0.089129|0.080453|0.500000| |1.862960|2.093298|2.331451|2.229005|2.364315|2.706233|2.906171|2.655593|4.802679|3.244659|5.783109|0.112018|5.468255|8.806089|6.689211|4.513544|0.104872|4.035326|4.525357|6.954510|3.905931|3.632736|17.573946|5.019519|2.575556|0.076028|2.160115|0.056771|2.131544|3.418406|1.947415|2.338641|0.046015|1.612910|1.445856|1.390787|1.466689|1.638159|1.735808|2.684370|2.546078|0.053158|0.048874|0.048408|0.061200|0.054894|0.056090|0.068512|0.081312|0.088125|0.129771|0.145024|0.184802|0.172812|0.105791|0.092366|0.174159|0.217971|0.089428|0.105954|0.114444|0.100055|0.098364|0.085089|0.301747|0.500000| |2.136512|2.467229|2.736293|2.557601|2.646327|3.000586|3.307699|3.125231|5.717032|3.544306|6.153881|0.116719|6.768073|8.773993|5.435280|4.228278|0.096898|3.823432|4.459664|6.840198|3.626068|3.956035|17.552005|5.308486|2.676879|0.080213|2.271960|0.059238|2.320532|3.728035|2.021722|2.434702|0.048256|1.663288|1.488550|1.420575|1.486100|1.656187|1.772667|2.746575|2.521410|0.060611|0.055158|0.055495|0.073806|0.064458|0.063935|0.081781|0.084934|0.097481|0.171347|0.189731|0.133815|0.141025|0.094663|0.091100|0.207396|0.174276|0.084682|0.100921|0.098759|0.115630|0.109242|0.090019|0.301261|0.302191|0.500000| |2.176964|2.131796|2.353382|2.679381|2.905089|2.672480|2.354336|2.236437|3.522691|2.151505|2.656610|0.057422|1.753559|1.573966|1.642203|1.800954|0.053016|1.670723|1.515888|1.462193|1.379182|1.538043|1.465368|4.753571|2.841356|0.070777|3.543600|0.096787|3.370059|6.199332|4.593895|8.949513|0.180207|8.816758|17.726192|8.885790|5.591040|4.867304|5.575940|5.848582|2.684731|0.059108|0.067767|0.055375|0.053031|0.059239|0.076086|0.053168|0.063886|0.055407|0.047812|0.049774|0.042538|0.047077|0.044437|0.048814|0.039263|0.038129|0.038590|0.036092|0.037442|0.045416|0.039658|0.043275|0.042171|0.038153|0.039447|0.500000| |1.951515|1.868685|2.036697|2.210884|2.366805|2.296311|2.111298|2.002166|3.252967|2.012434|2.476861|0.052645|1.621289|1.479324|1.557969|1.726800|0.051265|1.637986|1.476782|1.399339|1.364365|1.497292|1.363929|4.137649|2.375759|0.059041|2.734387|0.072986|2.566235|4.514621|3.460177|5.605450|0.104685|5.709287|8.979106|17.725413|8.888753|5.630073|4.974323|4.988634|2.339465|0.054456|0.059807|0.050045|0.047272|0.050881|0.061107|0.049062|0.060830|0.052745|0.044359|0.045119|0.040883|0.044099|0.044119|0.048399|0.037404|0.036692|0.038674|0.035586|0.037083|0.043597|0.038568|0.042776|0.038783|0.035849|0.036598|0.214775|0.500000| |1.952813|1.872760|2.074478|2.197225|2.392539|2.444488|2.293812|2.121739|3.491857|2.277140|2.780855|0.058695|1.774233|1.630324|1.749557|1.983371|0.060073|1.898182|1.671986|1.552878|1.550809|1.681581|1.475705|4.517444|2.509546|0.061170|2.738570|0.070981|2.495790|4.192705|3.486870|5.029740|0.089150|4.999616|5.624953|8.892919|17.726350|8.962955|5.681966|5.609885|2.553476|0.055929|0.058693|0.049638|0.047901|0.049870|0.058750|0.051880|0.071134|0.059757|0.048311|0.048509|0.046140|0.049103|0.051624|0.056915|0.041015|0.040722|0.044451|0.039958|0.042229|0.048495|0.042807|0.048665|0.041644|0.038913|0.039220|0.123698|0.216173|0.500000| |2.183983|2.147768|2.483354|2.636566|3.013543|3.261611|3.015889|2.638968|4.267203|3.082251|3.709161|0.079380|2.255698|2.048350|2.257125|2.650741|0.083229|2.471671|2.089625|1.919944|1.897945|2.068622|1.810357|6.335932|3.412639|0.079344|3.573089|0.088374|3.082847|4.891854|4.744208|5.974205|0.099596|5.619041|4.867641|5.596279|8.885021|17.730536|8.864282|9.151808|3.569849|0.063281|0.064705|0.054343|0.054985|0.056236|0.067951|0.061625|0.101868|0.078291|0.060424|0.061134|0.058745|0.063556|0.066907|0.074933|0.049855|0.049878|0.054268|0.048014|0.051764|0.059948|0.051509|0.059771|0.051207|0.047360|0.047420|0.106082|0.123694|0.214075|0.500000| 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